ChemSpider 2D Image | 2-Methyl-2-propanyl (4'E)-1-benzyl-2'-methyl-8',13'-dioxo-3',6',8',9',12',13'-hexahydro-1''H,2'H,11'H-dispiro[piperidine-4,10'-[1,2,9,12]benzothiatriazacyclopentadecine-7',3''-pyrrolidine]-1''-carboxy late 1',1'-dioxide | C35H47N5O6S

2-Methyl-2-propanyl (4'E)-1-benzyl-2'-methyl-8',13'-dioxo-3',6',8',9',12',13'-hexahydro-1''H,2'H,11'H-dispiro[piperidine-4,10'-[1,2,9,12]benzothiatriazacyclopentadecine-7',3''-pyrrolidine]-1''-carboxy late 1',1'-dioxide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID107390523

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-propanyl (4'E)-1-benzyl-2'-methyl-8',13'-dioxo-3',6',8',9',12',13'-hexahydro-1''H,2'H,11'H-dispiro[piperidine-4,10'-[1,2,9,12]benzothiatriazacyclopentadecine-7',3''-pyrrolidine]-1''-carboxy late 1',1'-dioxide [ACD/IUPAC Name]
Dispiro[piperidine-4,10'(11'H)-[1,2,9,12]benzothiatriazacyclopentadecine-7'(2'H),3''-pyrrolidine]-1''-carboxylic acid, 3',6',8',9',12',13'-hexahydro-2'-methyl-8',13'-dioxo-1-(phenylmethyl)-, 1,1-dimet hylethyl ester, 1',1'-dioxide, (4'E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 14.13
ACD/KOC (pH 7.4): 110.80
Polar Surface Area: 137 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 509.7±5.0 cm3

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